4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol

C9H17NO2 — CID 131131773

IUPAC4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CCC(CO)C(O)C1
InChIInChI=1S/C9H17NO2/c1-2-4-10-5-3-8(7-11)9(12)6-10/h2,8-9,11-12H,1,3-7H2
InChIKeyNLYDCRRTSAIBRF-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.15
Rot. Bonds3

About 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol

4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol (PubChem CID 131131773) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
PubChem CID131131773
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
SMILESC=CCN1CCC(CO)C(O)C1
InChIInChI=1S/C9H17NO2/c1-2-4-10-5-3-8(7-11)9(12)6-10/h2,8-9,11-12H,1,3-7H2
InChIKeyNLYDCRRTSAIBRF-UHFFFAOYSA-N
XLogP-0.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol
CID 131084208
1,3,4-tris(prop-2-enyl)piperidine
CID 118117546
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735
(1-prop-2-enylpiperidin-4-yl)methanol
CID 60768656
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
CID 22624487
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
CID 166157415
[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol
CID 130610025
(3S,4R)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-(hydroxymethyl)piperidin-3-ol
CID 155911283

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol?
The IUPAC name of 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol (CID 131131773) is 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol is C=CCN1CCC(CO)C(O)C1.
What is the InChIKey of 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol?
The InChIKey is NLYDCRRTSAIBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-4-10-5-3-8(7-11)9(12)6-10/h2,8-9,11-12H,1,3-7H2.
What are the key properties of 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol?
4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 131131773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).